2-(3,4-dimethoxyphenyl)azepane

2-(3,4-dimethoxyphenyl)azepane

CAS: 32084-81-4

Formula: C14H21NO2

SMILES: COC1=C(OC)C=C(C=C1)C1CCCCCN1

IUPAC: 2-(3,4-dimethoxyphenyl)azepane

InChI: InChI=1/C14H21NO2/c1-16-13-8-7-11(10-14(13)17-2)12-6-4-3-5-9-15-12/h7-8,10,12,15H,3-6,9H2,1-2H3

Composition: C (71.46%), H (9.00%), N (5.95%), O (13.60%)

Molar Mass: 235.327

Atom Count: 38

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	235.15722892
Formal Charge	0
FSP3	0.57
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	YQAZQGANGIFJDU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.65
Topological Polar Surface Area	30.49
Polarizability	27.21
Ring Count	2
Rotatable Bond Count	3

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